1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene

C8H13F3O2 — CID 130243314

IUPAC1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene
SMILESCOCCOC(C)C=CC(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-7(13-6-5-12-2)3-4-8(9,10)11/h3-4,7H,5-6H2,1-2H3
InChIKeyOPZBZDZNLVQDDW-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.16
Rot. Bonds5

About 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene

1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene (PubChem CID 130243314) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene
PubChem CID130243314
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene
SMILESCOCCOC(C)C=CC(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-7(13-6-5-12-2)3-4-8(9,10)11/h3-4,7H,5-6H2,1-2H3
InChIKeyOPZBZDZNLVQDDW-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene?
The IUPAC name of 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene (CID 130243314) is 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene is COCCOC(C)C=CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene?
The InChIKey is OPZBZDZNLVQDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-7(13-6-5-12-2)3-4-8(9,10)11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene?
1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene has a molecular weight of 198.18 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(2-methoxyethoxy)pent-2-ene is sourced from PubChem (CID 130243314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).